Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13463=UN6 in crystal structure 2F70

1. BindingDB_13458.docklog
2. 2F70_congener-log.txt
3. 2F70_sdf.mol2
4. prot-log.txt
5. BindingDB_13443.docklog.results_tab.log
6. 2F70-voxthresh-9.pdb
7. 2F70-results.mol2
8. BindingDB_13463.docklog.mol2
9. 2F70-voxthresh-7.pdb
10. BindingDB_13454.frags.mol2
11. 2F70-protomol.mol2
12. BindingDB_13439.docklog
13. BindingDB_13443.mol2
14. BindingDB_13463.mol2
15. 2F70_congener.mol2
16. BindingDB_13454.docklog.results_tab.log
17. BindingDB_13456.docklog.mol2
18. BindingDB_13457.frags.mol2
19. BindingDB_13436.docklog.mol2
20. BindingDB_13461.docklog.results_tab.log
21. BindingDB_13463.docklog
22. 2F70-results_BindingDB_13455.mol2
23. BindingDB_13455.mol2
24. BindingDB_13460.docklog.mol2
25. BindingDB_13458.mol2
26. BindingDB_13463.frags.mol2
27. 2F70-marked-vox.pdb
28. 2F70.opt-protein-trim.mol2
29. BindingDB_13453.frags.mol2
30. 2F70_ligand0.mol2
31. BindingDB_13453.docklog.mol2
32. BindingDB_13437.docklog.mol2
33. 2F70-voxthresh-8.pdb
34. bdb_2F70_UN6_3D.sdf
35. BindingDB_13460.docklog
36. BindingDB_13436.docklog
37. log-results.mol2
38. BindingDB_13454.docklog
39. BindingDB_13464.docklog.mol2
40. 2F70-results_BindingDB_13463.mol2
41. BindingDB_13437.docklog
42. BindingDB_13460.mol2
43. BindingDB_13464.mol2
44. BindingDB_13443.frags.mol2
45. 2F70-results_tab.log
46. BindingDB_13455.docklog.mol2
47. BindingDB_13463.docklog.results_tab.log
48. 2F70_water.mol2
49. BindingDB_13443.docklog
50. BindingDB_13436.mol2
51. BindingDB_13455.docklog
52. BindingDB_13457.docklog.results_tab.log
53. BindingDB_13436.docklog.results_tab.log
54. BindingDB_13454.docklog.mol2
55. log-results_tab.log
56. BindingDB_13435.docklog.results_tab.log
57. 2F70-results_BindingDB_13437.mol2
58. BindingDB_13438.docklog.results_tab.log
59. BindingDB_13456.docklog
60. BindingDB_13464.docklog
61. BindingDB_13461.frags.mol2
62. protein_sampling.mol2
63. BindingDB_13437.docklog.results_tab.log
64. 2F70-voxthresh-10.pdb
65. BindingDB_13435.docklog
66. BindingDB_13461.docklog
67. 2F70-marked-protein.pdb
68. BindingDB_13461.mol2
69. BindingDB_13464.docklog.results_tab.log
70. 2F70.csv
71. 2F70.mol2
72. BindingDB_13439.docklog.results_tab.log
73. log
74. 2F70.pdb
75. BindingDB_13457.mol2
76. BindingDB_13453.docklog
77. BindingDB_13464.frags.mol2
78. BindingDB_13456.frags.mol2
79. BindingDB_13455.frags.mol2
80. BindingDB_13460.docklog.results_tab.log
81. BindingDB_13439.mol2
82. BindingDB_13439.docklog.mol2
83. UN6.sdf
84. BindingDB_13438.docklog
85. scale
86. BindingDB_13438.frags.mol2
87. frag2.mol2
88. BindingDB_13458.docklog.results_tab.log
89. 2F70-voxthresh-5.pdb
90. BindingDB_13438.mol2
91. prot.mol2
92. BindingDB_13457.docklog
93. BindingDB_13453.mol2
94. BindingDB_13460.frags.mol2
95. 2F70-voxthresh-6.pdb
96. BindingDB_13435.frags.mol2
97. BindingDB_13435.mol2
98. BindingDB_13436.frags.mol2
99. 2F70-voxthresh-4.pdb
100. UnDockable.list
101. 2F70_sdf-log.txt
102. BindingDB_13456.mol2
103. BindingDB_13453.docklog.results_tab.log
104. BindingDB_13439.frags.mol2
105. 2F70.Targets
106. 2F70-results_BindingDB_13439.mol2
107. BindingDB_13458.frags.mol2
108. BindingDB_13458.docklog.mol2
109. 2F70-voxthresh-0.pdb
110. BindingDB_13443.docklog.mol2
111. BindingDB_13437.mol2
112. bdb_2F70_UN6_sim.txt
113. BindingDB_13455.docklog.results_tab.log
114. 2F70-results_BindingDB_13454.mol2
115. 2F70-voxthresh-1.pdb
116. BindingDB_13461.docklog.mol2
117. BindingDB_13454.mol2
118. BindingDB_13457.docklog.mol2
119. BindingDB_13435.docklog.mol2
120. BindingDB_13456.docklog.results_tab.log
121. BindingDB_13437.frags.mol2
122. 2F70-results_BindingDB_13443.mol2
123. 2F70-voxthresh-3.pdb
124. frag1.mol2
125. BindingDB_13438.docklog.mol2
126. 2F70-voxthresh-2.pdb
127. 2F70-results_BindingDB_13457.mol2